8-oxidanylidene-9-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 8-oxidanylidene-9-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 8-oxo-9-(2-thienyl)-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 8-oxo-9-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 8-oxo-9-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(2-thienyl)-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C17H10F3N5O2S MolecularWeight: 405.35381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C17H10F3N5O2S/c18-17(19,20)9-5-3-8(4-6-9)14-22-11(13(21)26)12-15(24-14)25(16(27)23-12)10-2-1-7-28-10/h1-7H,(H2,21,26)(H,23,27)